Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
448511 | 2nxu RC | 15229 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nxu
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 582
_Distance_constraint_stats_list.Viol_count 1314
_Distance_constraint_stats_list.Viol_total 6345.742
_Distance_constraint_stats_list.Viol_max 3.481
_Distance_constraint_stats_list.Viol_rms 0.2991
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1090
_Distance_constraint_stats_list.Viol_average_violations_only 0.4829
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 13 GLU 1.681 0.544 1 1 "[+ . 1]"
1 14 TYR 2.149 0.544 1 2 "[+ - 1]"
1 15 VAL 9.127 1.641 1 4 "[+* - * 1]"
1 16 GLU 7.667 1.096 1 5 "[+* *-* 1]"
1 17 MET 11.427 1.641 1 5 "[+* *- * 1]"
1 18 LEU 5.355 1.179 8 2 "[ . +-1]"
1 19 ASP 7.581 0.734 8 2 "[* . + 1]"
1 20 ARG 13.501 1.806 8 7 "[** *.* +-*]"
1 21 LEU 17.280 1.632 4 9 "[ **+*-****]"
1 22 TYR 7.883 0.773 3 5 "[* + .-** 1]"
1 23 SER 3.660 0.703 2 2 "[ + . -]"
1 24 LYS 0.394 0.321 1 0 "[ . 1]"
1 25 LEU 1.598 0.496 6 0 "[ . 1]"
1 27 GLU 7.736 1.398 5 6 "[ - *+* * *]"
1 28 LYS 0.000 0.000 . 0 "[ . 1]"
1 29 GLY 4.173 1.632 4 3 "[ +.- *1]"
1 30 ARG 0.657 0.357 8 0 "[ . 1]"
1 31 LYS 11.729 1.806 8 8 "[** -** +**]"
1 32 GLU 1.850 0.420 9 0 "[ . 1]"
1 33 GLY 1.833 0.864 5 1 "[ + 1]"
1 34 THR 1.923 1.180 8 1 "[ . + 1]"
1 35 GLN 3.561 0.839 7 2 "[ . + -1]"
1 36 SER 5.317 0.879 5 4 "[ *+ * -1]"
1 37 LEU 3.935 1.137 1 2 "[+ - 1]"
1 39 ASN 6.988 1.137 1 2 "[+ . -1]"
1 40 MET 5.829 0.680 6 1 "[ .+ 1]"
1 41 ILE 27.405 1.841 2 10 [*+*****-**]
1 42 ILE 22.348 1.841 2 10 [*+****-***]
1 43 LEU 39.007 2.396 10 10 [*******-*+]
1 44 ASN 26.326 2.026 5 10 [****+**-**]
1 45 ILE 4.840 1.430 4 4 "[ *+. -*]"
1 46 GLY 0.008 0.008 1 0 "[ . 1]"
1 47 ASN 4.984 0.636 4 8 "[***+- ***]"
1 48 THR 18.434 1.765 4 8 "[***+- ***]"
1 49 THR 41.949 1.673 3 10 [**+*****-*]
1 50 ILE 37.007 2.396 10 10 [*-*******+]
1 51 ILE 13.288 1.496 4 7 "[ *+-****1]"
1 52 ARG 0.171 0.157 9 0 "[ . 1]"
1 53 ASN 17.732 1.250 2 10 [*+*-******]
1 54 PHE 6.476 0.730 5 1 "[ + 1]"
1 55 ALA 14.660 1.250 2 10 [*+******-*]
1 56 GLU 14.235 0.764 5 5 "[*- *+ * 1]"
1 57 TYR 13.041 0.838 4 8 "[* +****-*]"
1 58 CYS 11.037 0.788 5 2 "[ - + 1]"
1 59 ASP 13.965 1.349 5 7 "[* *+ **-*]"
1 60 ARG 9.377 1.451 4 4 "[ * +*- 1]"
1 61 ILE 15.553 1.219 5 6 "[** *+* -]"
1 62 ARG 11.670 1.451 4 3 "[ +* - 1]"
1 63 ARG 4.306 0.802 6 2 "[ -+ 1]"
1 64 GLU 33.622 2.243 4 10 [**-+******]
1 65 ASP 16.649 1.562 4 6 "[***+- *]"
1 66 LYS 10.702 1.562 4 4 "[* -+* 1]"
1 67 ILE 42.885 2.243 4 10 [**-+******]
1 68 CYS 4.367 0.786 4 2 "[ *+. 1]"
1 69 MET 6.180 0.713 4 2 "[ - +. 1]"
1 70 LYS 1.525 0.322 10 0 "[ . 1]"
1 71 TYR 3.428 0.483 8 0 "[ . 1]"
1 72 LEU 12.043 0.972 5 4 "[ - *+ *]"
1 73 LEU 25.272 1.623 6 10 [*****+-***]
1 74 LYS 4.204 0.548 2 1 "[ + . 1]"
1 75 GLU 3.849 0.484 5 0 "[ . 1]"
1 76 LEU 51.897 2.914 4 10 [***+*-****]
1 77 ALA 0.030 0.030 1 0 "[ . 1]"
1 78 ALA 4.153 1.363 1 3 "[+-* . 1]"
1 80 GLY 13.768 1.663 8 10 [*-*****+**]
1 81 ASN 0.380 0.380 7 0 "[ . 1]"
1 82 VAL 16.318 1.761 2 9 "[*+*-** ***]"
1 83 ASP 8.981 1.877 4 5 "[* +.* *-]"
1 84 ASP 4.705 1.326 1 3 "[+*- . 1]"
1 85 LYS 0.000 0.000 . 0 "[ . 1]"
1 86 GLY 6.736 1.877 4 4 "[* +.* -1]"
1 87 GLU 4.860 1.326 1 3 "[+*- . 1]"
1 88 LEU 3.152 0.727 1 1 "[+ . 1]"
1 89 VAL 27.106 1.496 4 10 [***+****-*]
1 90 ILE 23.687 1.761 2 9 "[ +********]"
1 91 GLN 3.716 1.663 8 2 "[ . -+ 1]"
1 92 GLY 14.857 1.363 1 8 "[+-**.** **]"
1 93 LYS 0.124 0.075 8 0 "[ . 1]"
1 94 PHE 45.251 2.914 4 10 [***+*-****]
1 95 SER 17.194 1.673 3 9 [**+*.*-***]
1 96 SER 10.497 1.129 9 7 "[ * *.*-*+*]"
1 97 GLN 6.574 0.972 2 4 "[-+* * 1]"
1 98 VAL 1.270 0.632 7 1 "[ . + 1]"
1 99 ILE 13.502 1.618 6 6 "[* *-.+ * *]"
1 100 ASN 16.727 1.576 10 10 [******-**+]
1 101 THR 1.893 0.840 5 2 "[ - + 1]"
1 102 LEU 5.384 1.048 10 5 "[-* ** +]"
1 103 MET 4.772 1.005 2 3 "[*+ . -]"
1 104 GLU 4.982 0.707 2 4 "[ + - * *1]"
1 105 ARG 7.143 0.692 7 5 "[ * - +**1]"
1 106 PHE 12.434 0.839 6 8 "[* ***+** -]"
1 107 LEU 8.441 0.879 5 6 "[ ***+ * -]"
1 108 LYS 2.710 0.321 9 0 "[ . 1]"
1 109 ALA 11.917 1.190 9 7 "[* *** -+*]"
1 110 TYR 9.784 1.190 9 5 "[ - **+*]"
1 111 VAL 5.832 0.907 1 3 "[+ . -*]"
1 112 GLU 2.070 0.347 1 0 "[ . 1]"
1 113 CYS 9.039 1.149 1 4 "[+ .*-* 1]"
1 114 SER 8.848 1.149 1 4 "[+ . **-]"
1 115 THR 4.591 0.962 1 4 "[+ .* * -]"
1 116 CYS 14.676 3.481 4 6 "[** +** - 1]"
1 117 LYS 2.904 0.742 4 4 "[ * +.* - 1]"
1 118 SER 1.459 0.746 1 1 "[+ . 1]"
1 119 LEU 11.232 3.481 4 6 "[* +** -*1]"
1 120 ASP 1.991 0.885 9 2 "[ - +1]"
1 121 THR 5.511 0.885 9 4 "[* - * +1]"
1 124 LYS 1.855 0.621 10 2 "[ - . +]"
1 125 LYS 15.209 1.693 5 7 "[-* *+* * *]"
1 126 GLU 14.959 2.433 5 5 "[ * *+ *- 1]"
1 127 LYS 10.289 2.023 3 5 "[* +-. * *]"
1 129 SER 5.682 2.023 3 4 "[* +-. * 1]"
1 130 TRP 9.734 1.187 8 6 "[ -**. +**]"
1 131 TYR 27.328 2.433 5 9 [-***+****1]
1 134 CYS 21.259 1.494 6 9 [***-.+****]
1 135 LEU 2.694 0.591 4 1 "[ +. 1]"
1 136 ALA 12.559 1.356 1 9 "[+-***** **]"
1 137 CYS 3.058 0.934 9 3 "[ - . *+1]"
1 138 GLY 0.000 0.000 . 0 "[ . 1]"
1 139 ALA 4.352 1.398 8 3 "[ -. *+ 1]"
1 140 GLN 6.181 1.494 6 5 "[ -*.+* *]"
1 141 THR 10.792 1.777 5 7 "[*-* +* **1]"
1 143 VAL 10.331 1.777 5 7 "[ * -+* ***]"
1 144 LYS 2.393 0.626 10 3 "[ -. *+]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 GLU H 1 14 TYR H . . 4.510 4.354 3.501 4.644 0.134 9 0 "[ . 1]" 1
2 1 13 GLU H 1 37 LEU QD . . 4.650 3.602 2.402 4.988 0.338 3 0 "[ . 1]" 1
3 1 13 GLU HA 1 14 TYR H . . 2.940 2.368 2.135 3.484 0.544 1 1 "[+ . 1]" 1
4 1 13 GLU QB 1 14 TYR H . . 2.770 2.644 2.328 3.074 0.304 6 0 "[ . 1]" 1
5 1 14 TYR HA 1 15 VAL H . . 2.920 2.668 2.168 3.429 0.509 5 1 "[ + 1]" 1
6 1 14 TYR QB 1 15 VAL H . . 4.320 3.651 2.985 3.939 . 0 0 "[ . 1]" 1
7 1 15 VAL H 1 17 MET H . . 4.800 5.105 4.195 6.441 1.641 1 2 "[+- . 1]" 1
8 1 15 VAL H 1 37 LEU QD . . 4.650 3.252 2.573 4.470 . 0 0 "[ . 1]" 1
9 1 15 VAL HA 1 16 GLU H . . 3.630 2.643 2.154 3.409 . 0 0 "[ . 1]" 1
10 1 15 VAL HB 1 16 GLU H . . 4.200 3.383 1.841 4.417 0.217 1 0 "[ . 1]" 1
11 1 15 VAL HB 1 37 LEU QD . . 4.580 3.119 1.977 4.730 0.150 4 0 "[ . 1]" 1
12 1 15 VAL MG1 1 16 GLU H . . 2.890 2.662 1.502 3.609 0.719 7 2 "[- . + 1]" 1
13 1 15 VAL MG1 1 34 THR MG . . 4.390 3.024 2.284 4.413 0.023 5 0 "[ . 1]" 1
14 1 15 VAL MG2 1 16 GLU H . . 4.780 3.092 1.717 4.254 . 0 0 "[ . 1]" 1
15 1 15 VAL MG2 1 37 LEU HA . . 5.910 4.613 3.924 6.837 0.927 5 1 "[ + 1]" 1
16 1 16 GLU H 1 17 MET H . . 3.320 3.667 2.767 4.416 1.096 1 4 "[+* *- 1]" 1
17 1 16 GLU HA 1 17 MET H . . 3.470 2.679 2.096 3.437 . 0 0 "[ . 1]" 1
18 1 16 GLU QB 1 17 MET H . . 4.580 3.590 2.778 3.992 . 0 0 "[ . 1]" 1
19 1 16 GLU QG 1 17 MET H . . 4.140 4.161 3.832 4.397 0.257 5 0 "[ . 1]" 1
20 1 17 MET HA 1 18 LEU H . . 2.500 2.304 2.007 3.261 0.761 8 1 "[ . + 1]" 1
21 1 17 MET HA 1 19 ASP H . . 4.060 3.470 3.178 3.860 . 0 0 "[ . 1]" 1
22 1 17 MET HA 1 22 TYR QE . . 3.960 2.776 1.912 3.912 . 0 0 "[ . 1]" 1
23 1 17 MET HA 1 34 THR MG . . 4.990 4.034 2.052 6.170 1.180 8 1 "[ . + 1]" 1
24 1 17 MET QB 1 18 LEU H . . 4.180 3.729 3.127 3.969 . 0 0 "[ . 1]" 1
25 1 18 LEU H 1 19 ASP H . . 2.990 2.668 1.773 3.546 0.556 8 1 "[ . + 1]" 1
26 1 18 LEU H 1 20 ARG H . . 4.610 4.847 4.046 5.789 1.179 8 2 "[ . +-1]" 1
27 1 18 LEU H 1 22 TYR QE . . 4.730 3.060 2.644 3.774 . 0 0 "[ . 1]" 1
28 1 18 LEU HA 1 19 ASP H . . 3.560 3.132 2.447 3.363 . 0 0 "[ . 1]" 1
29 1 18 LEU MD1 1 31 LYS QE . . 3.980 2.515 1.931 3.688 . 0 0 "[ . 1]" 1
30 1 18 LEU MD2 1 31 LYS QE . . 3.410 2.921 2.001 4.294 0.884 8 1 "[ . + 1]" 1
31 1 19 ASP H 1 22 TYR QD . . 4.000 3.571 3.069 4.405 0.405 8 0 "[ . 1]" 1
32 1 19 ASP H 1 22 TYR QE . . 3.720 3.075 2.551 4.454 0.734 8 1 "[ . + 1]" 1
33 1 19 ASP HA 1 20 ARG H . . 3.050 3.337 2.827 3.444 0.394 9 0 "[ . 1]" 1
34 1 19 ASP HA 1 22 TYR H . . 4.410 3.781 3.476 4.218 . 0 0 "[ . 1]" 1
35 1 19 ASP HA 1 22 TYR HB2 . . 2.600 2.451 2.015 3.297 0.697 1 1 "[+ . 1]" 1
36 1 19 ASP HA 1 22 TYR QB . . 3.190 2.411 1.995 3.216 0.026 1 0 "[ . 1]" 1
37 1 19 ASP HA 1 22 TYR HB3 . . 3.890 3.621 2.976 4.468 0.578 1 1 "[+ . 1]" 1
38 1 19 ASP HA 1 22 TYR QD . . 3.070 2.994 2.772 3.217 0.147 7 0 "[ . 1]" 1
39 1 19 ASP HA 1 22 TYR QE . . 4.210 3.827 3.257 4.457 0.247 4 0 "[ . 1]" 1
40 1 20 ARG H 1 31 LYS QE . . 4.380 5.022 4.082 6.186 1.806 8 7 "[** -.* +**]" 1
41 1 20 ARG HA 1 21 LEU H . . 2.540 2.079 2.028 2.150 . 0 0 "[ . 1]" 1
42 1 20 ARG HA 1 22 TYR H . . 4.100 3.936 3.769 4.294 0.194 1 0 "[ . 1]" 1
43 1 20 ARG QD 1 21 LEU H . . 4.470 3.750 3.250 4.547 0.077 2 0 "[ . 1]" 1
44 1 21 LEU H 1 22 TYR H . . 3.170 2.902 2.696 3.211 0.041 3 0 "[ . 1]" 1
45 1 21 LEU H 1 25 LEU QD . . 4.810 2.938 1.655 3.922 . 0 0 "[ . 1]" 1
46 1 21 LEU HA 1 22 TYR H . . 2.620 2.977 2.551 3.393 0.773 3 4 "[ + .-** 1]" 1
47 1 21 LEU HA 1 23 SER H . . 4.300 4.222 3.595 5.003 0.703 2 2 "[ + . -]" 1
48 1 21 LEU HA 1 27 GLU H . . 4.950 4.990 4.045 6.348 1.398 5 3 "[ -+* 1]" 1
49 1 21 LEU QD 1 27 GLU H . . 4.850 3.317 1.528 4.273 . 0 0 "[ . 1]" 1
50 1 21 LEU QD 1 29 GLY H . . 3.120 2.214 1.575 3.431 0.311 4 0 "[ . 1]" 1
51 1 21 LEU QD 1 30 ARG H . . 4.740 3.134 2.543 4.214 . 0 0 "[ . 1]" 1
52 1 21 LEU HG 1 27 GLU H . . 4.000 4.018 2.299 5.378 1.378 10 4 "[ - .* * +]" 1
53 1 21 LEU HG 1 29 GLY H . . 4.080 4.200 2.596 5.712 1.632 4 3 "[ +.- *1]" 1
54 1 22 TYR HA 1 23 SER H . . 3.620 3.447 3.336 3.478 . 0 0 "[ . 1]" 1
55 1 22 TYR HB2 1 23 SER H . . 3.050 2.510 1.910 3.223 0.173 8 0 "[ . 1]" 1
56 1 22 TYR HB3 1 23 SER H . . 3.710 3.134 2.665 3.466 . 0 0 "[ . 1]" 1
57 1 22 TYR QD 1 23 SER H . . 4.690 4.329 4.092 4.565 . 0 0 "[ . 1]" 1
58 1 22 TYR QD 1 33 GLY HA2 . . 4.730 3.226 2.598 4.226 . 0 0 "[ . 1]" 1
59 1 22 TYR QE 1 31 LYS QE . . 4.940 2.937 1.939 3.865 . 0 0 "[ . 1]" 1
60 1 22 TYR QE 1 34 THR H . . 4.480 3.114 2.134 3.997 . 0 0 "[ . 1]" 1
61 1 23 SER HA 1 24 LYS H . . 2.560 2.351 2.121 2.881 0.321 1 0 "[ . 1]" 1
62 1 23 SER HA 1 25 LEU H . . 4.380 4.441 3.996 4.876 0.496 6 0 "[ . 1]" 1
63 1 24 LYS QB 1 25 LEU H . . 3.900 2.432 2.106 2.715 . 0 0 "[ . 1]" 1
64 1 24 LYS QG 1 25 LEU H . . 4.710 4.055 3.109 4.340 . 0 0 "[ . 1]" 1
65 1 27 GLU HA 1 28 LYS H . . 3.620 2.569 2.117 3.425 . 0 0 "[ . 1]" 1
66 1 27 GLU QB 1 28 LYS H . . 4.780 2.931 1.843 3.936 . 0 0 "[ . 1]" 1
67 1 27 GLU HB2 1 28 LYS H . . 4.980 3.536 2.206 4.541 . 0 0 "[ . 1]" 1
68 1 27 GLU HB3 1 28 LYS H . . 4.980 3.405 1.859 4.314 . 0 0 "[ . 1]" 1
69 1 28 LYS HA 1 29 GLY H . . 3.680 3.051 2.058 3.474 . 0 0 "[ . 1]" 1
70 1 28 LYS QB 1 29 GLY H . . 3.320 2.621 2.040 3.073 . 0 0 "[ . 1]" 1
71 1 29 GLY QA 1 30 ARG H . . 2.650 2.139 2.077 2.187 . 0 0 "[ . 1]" 1
72 1 30 ARG HA 1 31 LYS H . . 3.600 2.709 2.058 3.489 . 0 0 "[ . 1]" 1
73 1 30 ARG QB 1 31 LYS H . . 3.720 2.609 2.172 3.318 . 0 0 "[ . 1]" 1
74 1 30 ARG HB2 1 31 LYS H . . 3.940 3.436 2.289 4.297 0.357 8 0 "[ . 1]" 1
75 1 30 ARG HB3 1 31 LYS H . . 3.320 2.788 2.301 3.452 0.132 8 0 "[ . 1]" 1
76 1 31 LYS HA 1 32 GLU H . . 2.630 2.293 2.089 3.035 0.405 2 0 "[ . 1]" 1
77 1 31 LYS HA 1 32 GLU QB . . 4.930 4.348 4.188 4.763 . 0 0 "[ . 1]" 1
78 1 31 LYS HA 1 32 GLU QG . . 4.750 4.093 3.712 4.641 . 0 0 "[ . 1]" 1
79 1 31 LYS QB 1 32 GLU H . . 3.400 2.804 1.880 3.606 0.206 8 0 "[ . 1]" 1
80 1 31 LYS QG 1 32 GLU H . . 3.420 2.933 1.579 3.840 0.420 9 0 "[ . 1]" 1
81 1 31 LYS QG 1 33 GLY H . . 4.670 3.705 1.940 5.534 0.864 5 1 "[ + 1]" 1
82 1 32 GLU HA 1 33 GLY H . . 3.610 3.271 2.243 3.484 . 0 0 "[ . 1]" 1
83 1 32 GLU QB 1 33 GLY H . . 4.340 2.705 1.846 3.721 . 0 0 "[ . 1]" 1
84 1 32 GLU QG 1 33 GLY H . . 4.750 4.214 3.565 4.514 . 0 0 "[ . 1]" 1
85 1 33 GLY QA 1 34 THR H . . 2.680 2.150 2.031 2.267 . 0 0 "[ . 1]" 1
86 1 33 GLY HA2 1 34 THR H . . 2.980 2.365 2.104 2.864 . 0 0 "[ . 1]" 1
87 1 33 GLY HA3 1 34 THR H . . 2.980 2.753 2.077 3.289 0.309 2 0 "[ . 1]" 1
88 1 34 THR HA 1 35 GLN H . . 2.650 2.112 2.009 2.194 . 0 0 "[ . 1]" 1
89 1 35 GLN HA 1 36 SER H . . 2.630 2.379 1.935 3.469 0.839 7 1 "[ . + 1]" 1
90 1 35 GLN QG 1 36 SER H . . 4.030 3.696 1.703 4.566 0.536 9 1 "[ . +1]" 1
91 1 35 GLN QG 1 56 GLU HA . . 4.390 3.098 2.133 4.562 0.172 9 0 "[ . 1]" 1
92 1 35 GLN QG 1 60 ARG H . . 4.670 4.137 3.002 4.998 0.328 5 0 "[ . 1]" 1
93 1 36 SER H 1 60 ARG QD . . 4.280 3.707 2.139 5.108 0.828 5 1 "[ + 1]" 1
94 1 36 SER HA 1 37 LEU H . . 2.620 2.159 2.037 2.354 . 0 0 "[ . 1]" 1
95 1 36 SER HA 1 107 LEU QD . . 4.090 3.104 2.120 3.999 . 0 0 "[ . 1]" 1
96 1 36 SER QB 1 37 LEU H . . 3.850 3.104 2.163 3.823 . 0 0 "[ . 1]" 1
97 1 36 SER QB 1 107 LEU HA . . 4.100 3.608 2.702 4.979 0.879 5 2 "[ -+ 1]" 1
98 1 37 LEU H 1 107 LEU MD1 . . 4.170 3.231 1.830 4.701 0.531 5 1 "[ + 1]" 1
99 1 37 LEU H 1 107 LEU QD . . 3.870 2.684 1.811 3.823 . 0 0 "[ . 1]" 1
100 1 37 LEU H 1 107 LEU MD2 . . 4.170 3.266 2.277 4.069 . 0 0 "[ . 1]" 1
101 1 37 LEU HA 1 39 ASN H . . 4.850 4.669 3.735 5.987 1.137 1 1 "[+ . 1]" 1
102 1 37 LEU HA 1 107 LEU MD1 . . 4.520 3.500 2.472 4.684 0.164 5 0 "[ . 1]" 1
103 1 37 LEU HA 1 107 LEU QD . . 4.220 2.867 1.917 3.586 . 0 0 "[ . 1]" 1
104 1 37 LEU HA 1 107 LEU MD2 . . 4.520 3.197 1.997 4.554 0.034 9 0 "[ . 1]" 1
105 1 39 ASN HA 1 40 MET H . . 2.680 2.209 2.060 2.719 0.039 8 0 "[ . 1]" 1
106 1 39 ASN HA 1 41 ILE H . . 4.620 4.636 4.034 5.528 0.908 9 1 "[ . +1]" 1
107 1 39 ASN QB 1 40 MET H . . 3.760 3.392 2.648 3.754 . 0 0 "[ . 1]" 1
108 1 39 ASN HB2 1 40 MET H . . 3.960 3.934 2.806 4.457 0.497 1 0 "[ . 1]" 1
109 1 39 ASN HB3 1 40 MET H . . 3.960 3.863 2.721 4.205 0.245 2 0 "[ . 1]" 1
110 1 40 MET HA 1 41 ILE H . . 2.650 2.363 2.056 2.841 0.191 10 0 "[ . 1]" 1
111 1 40 MET HA 1 53 ASN QB . . 4.920 4.476 2.587 5.572 0.652 6 1 "[ .+ 1]" 1
112 1 40 MET HA 1 57 TYR QD . . 4.880 4.282 3.487 5.560 0.680 6 1 "[ .+ 1]" 1
113 1 40 MET QB 1 60 ARG QD . . 4.910 4.059 2.487 5.428 0.518 6 1 "[ .+ 1]" 1
114 1 41 ILE H 1 57 TYR QD . . 4.870 4.805 4.246 5.578 0.708 8 1 "[ . + 1]" 1
115 1 41 ILE H 1 57 TYR QE . . 5.200 3.573 2.362 4.626 . 0 0 "[ . 1]" 1
116 1 41 ILE HA 1 42 ILE H . . 2.640 2.146 2.039 2.338 . 0 0 "[ . 1]" 1
117 1 41 ILE HA 1 100 ASN H . . 5.450 6.074 4.567 7.026 1.576 10 5 "[** *.- +]" 1
118 1 41 ILE MD 1 42 ILE H . . 4.640 4.277 3.821 4.892 0.252 2 0 "[ . 1]" 1
119 1 41 ILE MG 1 42 ILE H . . 2.460 3.980 3.638 4.301 1.841 2 10 [*+******-*] 1
120 1 42 ILE H 1 57 TYR QE . . 4.590 3.353 2.752 4.702 0.112 6 0 "[ . 1]" 1
121 1 42 ILE HA 1 43 LEU H . . 2.660 2.124 2.030 2.202 . 0 0 "[ . 1]" 1
122 1 42 ILE HA 1 51 ILE MG . . 4.690 3.991 3.378 4.772 0.082 2 0 "[ . 1]" 1
123 1 42 ILE HA 1 57 TYR QE . . 4.530 3.677 2.953 4.540 0.010 10 0 "[ . 1]" 1
124 1 42 ILE HA 1 96 SER H . . 4.990 5.101 4.050 5.991 1.001 7 2 "[ . + -1]" 1
125 1 42 ILE MD 1 57 TYR QE . . 3.920 2.831 2.048 3.620 . 0 0 "[ . 1]" 1
126 1 42 ILE MD 1 96 SER H . . 3.820 2.925 1.697 4.861 1.041 9 2 "[ . - +1]" 1
127 1 42 ILE MG 1 43 LEU H . . 2.880 2.961 2.365 3.777 0.897 9 2 "[ . - +1]" 1
128 1 42 ILE MG 1 96 SER H . . 4.640 2.266 1.825 3.082 . 0 0 "[ . 1]" 1
129 1 43 LEU H 1 49 THR HA . . 4.270 4.993 4.048 5.601 1.331 6 8 "[** **+ -**]" 1
130 1 43 LEU H 1 50 ILE H . . 4.340 3.610 3.150 4.299 . 0 0 "[ . 1]" 1
131 1 43 LEU HA 1 44 ASN H . . 2.550 2.164 2.037 2.303 . 0 0 "[ . 1]" 1
132 1 43 LEU HA 1 50 ILE H . . 4.900 4.824 4.494 5.062 0.162 4 0 "[ . 1]" 1
133 1 43 LEU HA 1 50 ILE QG . . 4.920 6.809 6.316 7.316 2.396 10 10 [***-*****+] 1
134 1 43 LEU QB 1 44 ASN H . . 3.870 3.463 2.962 3.851 . 0 0 "[ . 1]" 1
135 1 43 LEU HG 1 44 ASN H . . 2.340 3.358 2.325 4.366 2.026 5 7 "[* **+ *- *]" 1
136 1 44 ASN H 1 49 THR HA . . 4.420 5.095 4.778 5.447 1.027 4 7 "[* +** *-*]" 1
137 1 44 ASN H 1 50 ILE H . . 4.790 4.924 4.628 5.248 0.458 3 0 "[ . 1]" 1
138 1 44 ASN HA 1 45 ILE H . . 2.550 2.108 2.020 2.264 . 0 0 "[ . 1]" 1
139 1 44 ASN HA 1 48 THR H . . 4.840 5.400 4.363 6.605 1.765 4 7 "[ **+* -**]" 1
140 1 44 ASN HA 1 49 THR HA . . 4.380 2.795 2.199 3.191 . 0 0 "[ . 1]" 1
141 1 44 ASN HA 1 95 SER HA . . 4.940 4.664 3.546 5.727 0.787 6 1 "[ .+ 1]" 1
142 1 45 ILE H 1 48 THR H . . 3.720 4.193 3.742 5.150 1.430 4 4 "[ *+. -*]" 1
143 1 45 ILE H 1 49 THR HA . . 4.470 3.340 2.620 4.576 0.106 6 0 "[ . 1]" 1
144 1 45 ILE HA 1 46 GLY H . . 2.640 2.274 2.073 2.648 0.008 1 0 "[ . 1]" 1
145 1 46 GLY QA 1 47 ASN H . . 2.730 2.149 2.087 2.240 . 0 0 "[ . 1]" 1
146 1 46 GLY QA 1 48 THR H . . 4.580 3.643 3.530 3.842 . 0 0 "[ . 1]" 1
147 1 47 ASN HA 1 48 THR H . . 2.810 3.264 2.745 3.446 0.636 4 8 "[***+- ***]" 1
148 1 47 ASN QB 1 48 THR H . . 4.370 3.000 2.485 3.816 . 0 0 "[ . 1]" 1
149 1 47 ASN QB 1 92 GLY H . . 4.840 3.639 2.400 5.186 0.346 2 0 "[ . 1]" 1
150 1 48 THR H 1 91 GLN HA . . 5.000 4.427 3.532 4.773 . 0 0 "[ . 1]" 1
151 1 48 THR H 1 92 GLY H . . 4.690 4.843 4.371 5.459 0.769 2 2 "[-+ . 1]" 1
152 1 48 THR HA 1 49 THR H . . 2.640 2.140 1.964 2.320 . 0 0 "[ . 1]" 1
153 1 48 THR HA 1 91 GLN H . . 4.810 4.536 3.675 5.062 0.252 1 0 "[ . 1]" 1
154 1 48 THR HA 1 92 GLY H . . 4.800 3.417 2.552 4.219 . 0 0 "[ . 1]" 1
155 1 49 THR H 1 89 VAL HA . . 4.960 4.211 3.770 4.792 . 0 0 "[ . 1]" 1
156 1 49 THR H 1 91 GLN HA . . 4.700 3.280 2.745 3.611 . 0 0 "[ . 1]" 1
157 1 49 THR H 1 92 GLY H . . 4.230 4.198 3.604 4.952 0.722 6 1 "[ .+ 1]" 1
158 1 49 THR H 1 95 SER HA . . 4.840 5.832 5.279 6.513 1.673 3 9 [**+*.*-***] 1
159 1 49 THR HA 1 50 ILE H . . 2.490 2.142 2.027 2.226 . 0 0 "[ . 1]" 1
160 1 49 THR HA 1 89 VAL HA . . 4.410 5.143 4.822 5.626 1.216 4 7 "[* *+. **-*]" 1
161 1 49 THR HA 1 90 ILE H . . 4.380 4.638 4.255 5.222 0.842 4 1 "[ +. 1]" 1
162 1 49 THR HA 1 95 SER HA . . 4.040 4.381 3.625 5.028 0.988 7 4 "[ -* . + *1]" 1
163 1 49 THR MG 1 94 PHE H . . 4.610 3.544 2.440 5.609 0.999 7 1 "[ . + 1]" 1
164 1 49 THR MG 1 95 SER H . . 3.460 3.306 2.764 4.146 0.686 7 1 "[ . + 1]" 1
165 1 50 ILE H 1 89 VAL HA . . 4.430 4.727 4.346 5.068 0.638 4 1 "[ +. 1]" 1
166 1 50 ILE H 1 90 ILE H . . 4.390 5.024 4.731 5.322 0.932 6 9 "[ -***+****]" 1
167 1 50 ILE HA 1 51 ILE H . . 2.630 2.036 1.951 2.118 . 0 0 "[ . 1]" 1
168 1 50 ILE HA 1 88 LEU H . . 4.950 4.910 4.392 5.448 0.498 10 0 "[ . 1]" 1
169 1 50 ILE HA 1 89 VAL H . . 4.390 4.838 4.078 5.162 0.772 5 5 "[ -**+* 1]" 1
170 1 50 ILE HA 1 89 VAL HA . . 2.840 2.745 2.075 3.257 0.417 4 0 "[ . 1]" 1
171 1 50 ILE HA 1 90 ILE H . . 4.640 3.914 3.325 4.699 0.059 6 0 "[ . 1]" 1
172 1 51 ILE H 1 88 LEU H . . 4.980 3.658 3.199 5.358 0.378 4 0 "[ . 1]" 1
173 1 51 ILE H 1 89 VAL H . . 4.310 4.959 4.482 5.806 1.496 4 7 "[ *+-****1]" 1
174 1 51 ILE H 1 89 VAL HA . . 4.070 3.814 3.114 4.639 0.569 4 1 "[ +. 1]" 1
175 1 51 ILE H 1 90 ILE H . . 4.180 4.695 3.887 5.353 1.173 7 5 "[ -*+**1]" 1
176 1 51 ILE HA 1 52 ARG H . . 2.550 2.101 1.989 2.166 . 0 0 "[ . 1]" 1
177 1 51 ILE MG 1 52 ARG H . . 3.600 3.244 2.593 3.757 0.157 9 0 "[ . 1]" 1
178 1 51 ILE MG 1 54 PHE QD . . 4.750 3.702 3.084 4.229 . 0 0 "[ . 1]" 1
179 1 51 ILE MG 1 57 TYR QD . . 4.300 2.514 1.911 3.157 . 0 0 "[ . 1]" 1
180 1 52 ARG HA 1 53 ASN H . . 3.700 3.488 3.461 3.510 . 0 0 "[ . 1]" 1
181 1 52 ARG HA 1 54 PHE H . . 4.380 4.060 3.619 4.394 0.014 5 0 "[ . 1]" 1
182 1 52 ARG QB 1 53 ASN H . . 3.720 2.953 2.546 3.380 . 0 0 "[ . 1]" 1
183 1 52 ARG QG 1 53 ASN H . . 2.510 1.791 1.560 2.308 . 0 0 "[ . 1]" 1
184 1 53 ASN H 1 54 PHE H . . 3.470 3.493 3.250 3.658 0.188 4 0 "[ . 1]" 1
185 1 53 ASN H 1 55 ALA H . . 4.870 5.949 5.668 6.120 1.250 2 10 [*+******-*] 1
186 1 53 ASN HA 1 54 PHE H . . 2.560 2.525 2.301 2.875 0.315 6 0 "[ . 1]" 1
187 1 53 ASN HA 1 55 ALA H . . 4.100 3.892 3.682 4.088 . 0 0 "[ . 1]" 1
188 1 53 ASN HA 1 56 GLU H . . 3.900 4.348 3.933 4.664 0.764 5 3 "[ -+ * 1]" 1
189 1 53 ASN QB 1 54 PHE H . . 4.320 3.856 3.804 3.889 . 0 0 "[ . 1]" 1
190 1 53 ASN HB2 1 54 PHE H . . 4.520 4.332 4.135 4.423 . 0 0 "[ . 1]" 1
191 1 53 ASN HB3 1 54 PHE H . . 4.520 4.335 4.225 4.442 . 0 0 "[ . 1]" 1
192 1 54 PHE H 1 55 ALA H . . 2.760 2.964 2.838 3.055 0.295 2 0 "[ . 1]" 1
193 1 54 PHE H 1 57 TYR H . . 4.720 4.994 4.621 5.450 0.730 5 1 "[ + 1]" 1
194 1 54 PHE HA 1 55 ALA H . . 3.680 3.459 3.405 3.490 . 0 0 "[ . 1]" 1
195 1 54 PHE HA 1 56 GLU H . . 4.580 4.466 4.315 4.695 0.115 2 0 "[ . 1]" 1
196 1 54 PHE HA 1 57 TYR H . . 4.440 3.441 3.226 3.628 . 0 0 "[ . 1]" 1
197 1 54 PHE QB 1 55 ALA H . . 4.710 3.373 3.285 3.461 . 0 0 "[ . 1]" 1
198 1 54 PHE QD 1 55 ALA H . . 3.120 2.837 2.538 3.084 . 0 0 "[ . 1]" 1
199 1 54 PHE QD 1 88 LEU QD . . 4.730 3.113 2.711 3.612 . 0 0 "[ . 1]" 1
200 1 54 PHE QE 1 55 ALA H . . 4.380 3.845 3.635 4.195 . 0 0 "[ . 1]" 1
201 1 54 PHE QE 1 87 GLU HA . . 4.910 3.090 2.216 4.748 . 0 0 "[ . 1]" 1
202 1 55 ALA H 1 56 GLU H . . 2.900 2.890 2.811 2.980 0.080 10 0 "[ . 1]" 1
203 1 55 ALA H 1 57 TYR H . . 4.390 4.219 3.945 4.513 0.123 5 0 "[ . 1]" 1
204 1 55 ALA H 1 58 CYS H . . 4.670 4.810 4.704 5.007 0.337 1 0 "[ . 1]" 1
205 1 55 ALA HA 1 56 GLU H . . 3.650 3.480 3.449 3.524 . 0 0 "[ . 1]" 1
206 1 55 ALA HA 1 58 CYS H . . 4.740 3.794 3.543 4.268 . 0 0 "[ . 1]" 1
207 1 55 ALA MB 1 56 GLU H . . 3.270 2.437 2.316 2.585 . 0 0 "[ . 1]" 1
208 1 56 GLU H 1 57 TYR H . . 2.780 2.679 2.505 2.783 0.003 6 0 "[ . 1]" 1
209 1 56 GLU H 1 58 CYS H . . 4.230 4.347 4.111 4.772 0.542 2 1 "[ + . 1]" 1
210 1 56 GLU H 1 59 ASP H . . 4.800 4.987 4.651 5.348 0.548 1 1 "[+ . 1]" 1
211 1 56 GLU HA 1 57 TYR H . . 3.550 3.415 3.030 3.499 . 0 0 "[ . 1]" 1
212 1 56 GLU HA 1 58 CYS H . . 4.260 4.621 4.391 4.827 0.567 2 1 "[ + . 1]" 1
213 1 56 GLU HA 1 59 ASP H . . 3.590 3.751 3.320 4.024 0.434 2 0 "[ . 1]" 1
214 1 57 TYR H 1 58 CYS H . . 2.710 2.753 2.267 3.013 0.303 1 0 "[ . 1]" 1
215 1 57 TYR H 1 59 ASP H . . 3.650 4.192 3.429 4.488 0.838 4 7 "[* +* **-*]" 1
216 1 57 TYR HA 1 58 CYS H . . 3.630 3.469 3.455 3.486 . 0 0 "[ . 1]" 1
217 1 57 TYR HA 1 60 ARG HB2 . . 4.930 2.732 1.756 4.190 . 0 0 "[ . 1]" 1
218 1 57 TYR HA 1 60 ARG QB . . 4.630 2.608 1.745 3.217 . 0 0 "[ . 1]" 1
219 1 57 TYR HA 1 60 ARG HB3 . . 4.930 3.940 3.002 4.486 . 0 0 "[ . 1]" 1
220 1 57 TYR HA 1 61 ILE H . . 4.920 4.142 3.814 4.720 . 0 0 "[ . 1]" 1
221 1 57 TYR HA 1 99 ILE MG . . 4.650 3.816 3.043 4.630 . 0 0 "[ . 1]" 1
222 1 57 TYR QB 1 58 CYS H . . 3.060 2.482 2.263 2.864 . 0 0 "[ . 1]" 1
223 1 57 TYR HB2 1 58 CYS H . . 3.360 3.227 2.878 3.699 0.339 8 0 "[ . 1]" 1
224 1 57 TYR HB3 1 58 CYS H . . 3.360 2.640 2.355 3.376 0.016 4 0 "[ . 1]" 1
225 1 57 TYR QE 1 100 ASN HA . . 4.620 3.103 2.184 4.718 0.098 10 0 "[ . 1]" 1
226 1 58 CYS H 1 59 ASP H . . 3.240 2.793 2.723 2.897 . 0 0 "[ . 1]" 1
227 1 58 CYS H 1 61 ILE H . . 4.820 4.971 4.776 5.608 0.788 5 1 "[ + 1]" 1
228 1 58 CYS HA 1 59 ASP H . . 3.660 3.459 3.412 3.499 . 0 0 "[ . 1]" 1
229 1 58 CYS HA 1 61 ILE H . . 4.380 3.745 3.337 4.560 0.180 5 0 "[ . 1]" 1
230 1 58 CYS HA 1 61 ILE HB . . 4.470 4.407 3.919 4.955 0.485 1 0 "[ . 1]" 1
231 1 58 CYS QB 1 59 ASP H . . 4.380 2.704 2.400 3.336 . 0 0 "[ . 1]" 1
232 1 59 ASP H 1 60 ARG H . . 4.390 2.737 2.446 3.102 . 0 0 "[ . 1]" 1
233 1 59 ASP H 1 61 ILE H . . 4.280 4.501 4.019 5.434 1.154 5 1 "[ + 1]" 1
234 1 59 ASP HA 1 60 ARG H . . 3.640 3.255 2.824 3.446 . 0 0 "[ . 1]" 1
235 1 59 ASP HA 1 61 ILE H . . 5.350 4.597 4.236 5.443 0.093 5 0 "[ . 1]" 1
236 1 59 ASP HA 1 62 ARG H . . 4.420 4.077 3.360 5.769 1.349 5 1 "[ + 1]" 1
237 1 59 ASP QB 1 60 ARG H . . 4.260 3.005 2.507 3.714 . 0 0 "[ . 1]" 1
238 1 59 ASP HB2 1 60 ARG H . . 4.560 3.387 2.627 4.015 . 0 0 "[ . 1]" 1
239 1 59 ASP HB3 1 60 ARG H . . 4.560 3.649 2.547 4.379 . 0 0 "[ . 1]" 1
240 1 60 ARG H 1 61 ILE H . . 2.780 2.617 2.011 2.956 0.176 4 0 "[ . 1]" 1
241 1 60 ARG HA 1 61 ILE H . . 3.670 3.487 3.426 3.526 . 0 0 "[ . 1]" 1
242 1 60 ARG HA 1 62 ARG H . . 4.530 4.885 4.166 5.981 1.451 4 2 "[ +- 1]" 1
243 1 60 ARG HA 1 103 MET HA . . 4.730 4.825 4.111 5.735 1.005 2 1 "[ + . 1]" 1
244 1 60 ARG HA 1 106 PHE QD . . 4.800 3.635 2.467 4.616 . 0 0 "[ . 1]" 1
245 1 61 ILE H 1 62 ARG H . . 2.760 2.967 2.595 3.979 1.219 5 2 "[ -+ 1]" 1
246 1 61 ILE H 1 99 ILE MG . . 4.750 3.292 2.407 3.944 . 0 0 "[ . 1]" 1
247 1 61 ILE HA 1 62 ARG H . . 3.700 3.469 3.425 3.519 . 0 0 "[ . 1]" 1
248 1 61 ILE HA 1 102 LEU H . . 4.700 5.111 4.537 5.748 1.048 10 4 "[-* .* +]" 1
249 1 61 ILE HA 1 102 LEU QD . . 3.470 2.563 2.015 3.225 . 0 0 "[ . 1]" 1
250 1 61 ILE HA 1 103 MET H . . 4.070 4.082 3.526 4.950 0.880 1 2 "[+ . -]" 1
251 1 61 ILE MD 1 62 ARG H . . 5.370 3.935 3.074 4.677 . 0 0 "[ . 1]" 1
252 1 61 ILE MD 1 99 ILE H . . 4.970 4.196 3.112 5.485 0.515 1 2 "[+ . -]" 1
253 1 61 ILE MG 1 62 ARG H . . 2.990 1.993 1.632 2.406 . 0 0 "[ . 1]" 1
254 1 61 ILE MG 1 68 CYS HA . . 4.720 3.695 2.949 4.767 0.047 2 0 "[ . 1]" 1
255 1 62 ARG H 1 63 ARG H . . 3.740 3.522 2.289 4.186 0.446 9 0 "[ . 1]" 1
256 1 62 ARG HA 1 63 ARG H . . 2.560 2.239 1.993 2.601 0.041 6 0 "[ . 1]" 1
257 1 62 ARG HA 1 64 GLU H . . 4.180 3.926 3.386 4.428 0.248 6 0 "[ . 1]" 1
258 1 62 ARG HA 1 67 ILE MG . . 4.720 4.586 4.165 5.476 0.756 8 1 "[ . + 1]" 1
259 1 62 ARG HA 1 102 LEU QD . . 4.650 3.998 3.639 4.427 . 0 0 "[ . 1]" 1
260 1 63 ARG H 1 64 GLU H . . 2.790 2.942 2.570 3.592 0.802 6 2 "[ -+ 1]" 1
261 1 63 ARG HA 1 64 GLU H . . 3.670 3.232 2.795 3.455 . 0 0 "[ . 1]" 1
262 1 63 ARG QB 1 64 GLU H . . 3.950 3.066 2.538 3.830 . 0 0 "[ . 1]" 1
263 1 63 ARG HB2 1 64 GLU H . . 4.150 3.292 2.618 4.460 0.310 2 0 "[ . 1]" 1
264 1 63 ARG HB3 1 64 GLU H . . 4.150 3.771 3.248 4.365 0.215 3 0 "[ . 1]" 1
265 1 64 GLU H 1 65 ASP H . . 4.570 4.040 3.600 4.345 . 0 0 "[ . 1]" 1
266 1 64 GLU H 1 67 ILE H . . 4.890 5.732 5.045 6.426 1.536 3 9 "[**+** **-*]" 1
267 1 64 GLU HA 1 65 ASP H . . 2.610 2.633 2.111 3.483 0.873 4 3 "[ *+- 1]" 1
268 1 64 GLU HA 1 67 ILE H . . 4.840 5.160 4.352 5.779 0.939 9 5 "[ *-** +1]" 1
269 1 64 GLU HA 1 67 ILE HB . . 4.960 6.411 5.178 7.203 2.243 4 9 "[***+**- **]" 1
270 1 64 GLU QB 1 65 ASP H . . 3.710 3.227 1.777 3.914 0.204 8 0 "[ . 1]" 1
271 1 65 ASP H 1 66 LYS H . . 2.770 3.361 2.285 4.332 1.562 4 4 "[- *+* 1]" 1
272 1 65 ASP H 1 67 ILE H . . 4.400 4.862 3.476 5.524 1.124 5 5 "[*-* + *]" 1
273 1 65 ASP HA 1 66 LYS H . . 3.690 3.039 2.024 3.514 . 0 0 "[ . 1]" 1
274 1 65 ASP HA 1 68 CYS QB . . 4.460 3.477 2.098 5.169 0.709 3 2 "[ +-. 1]" 1
275 1 65 ASP QB 1 66 LYS H . . 4.950 3.103 2.296 3.896 . 0 0 "[ . 1]" 1
276 1 65 ASP HB2 1 66 LYS H . . 5.150 3.695 2.362 4.387 . 0 0 "[ . 1]" 1
277 1 65 ASP HB3 1 66 LYS H . . 5.150 3.540 2.701 4.361 . 0 0 "[ . 1]" 1
278 1 66 LYS H 1 67 ILE H . . 2.800 3.196 2.839 3.814 1.014 5 3 "[ -*+ 1]" 1
279 1 66 LYS H 1 69 MET H . . 4.930 4.648 4.046 5.270 0.340 2 0 "[ . 1]" 1
280 1 66 LYS HA 1 67 ILE H . . 3.680 3.499 3.468 3.530 . 0 0 "[ . 1]" 1
281 1 66 LYS HA 1 69 MET QB . . 5.040 2.921 2.090 3.681 . 0 0 "[ . 1]" 1
282 1 66 LYS HA 1 70 LYS H . . 4.280 3.973 3.429 4.184 . 0 0 "[ . 1]" 1
283 1 66 LYS QB 1 67 ILE H . . 3.990 2.488 2.313 2.825 . 0 0 "[ . 1]" 1
284 1 67 ILE H 1 68 CYS H . . 2.830 2.892 2.649 3.616 0.786 4 1 "[ +. 1]" 1
285 1 67 ILE H 1 69 MET H . . 4.280 4.385 3.986 4.993 0.713 4 2 "[ - +. 1]" 1
286 1 67 ILE HA 1 68 CYS H . . 3.670 3.326 2.154 3.507 . 0 0 "[ . 1]" 1
287 1 67 ILE HA 1 70 LYS H . . 4.340 3.493 3.097 4.104 . 0 0 "[ . 1]" 1
288 1 67 ILE HA 1 70 LYS QB . . 4.300 2.653 2.070 3.508 . 0 0 "[ . 1]" 1
289 1 67 ILE MD 1 130 TRP HE3 . . 4.720 4.209 3.211 5.729 1.009 8 2 "[ -. + 1]" 1
290 1 67 ILE MG 1 68 CYS H . . 3.840 2.675 2.057 4.155 0.315 4 0 "[ . 1]" 1
291 1 68 CYS H 1 69 MET H . . 2.740 2.795 2.473 3.011 0.271 2 0 "[ . 1]" 1
292 1 68 CYS H 1 71 TYR H . . 4.870 4.570 2.929 4.872 0.002 9 0 "[ . 1]" 1
293 1 68 CYS HA 1 69 MET H . . 3.650 3.469 3.431 3.492 . 0 0 "[ . 1]" 1
294 1 68 CYS HA 1 71 TYR HB2 . . 4.540 3.050 2.469 3.523 . 0 0 "[ . 1]" 1
295 1 68 CYS HA 1 71 TYR QB . . 4.340 2.837 2.443 3.224 . 0 0 "[ . 1]" 1
296 1 68 CYS HA 1 71 TYR HB3 . . 4.540 3.758 2.713 4.574 0.034 10 0 "[ . 1]" 1
297 1 68 CYS HA 1 72 LEU H . . 4.510 4.089 3.648 4.526 0.016 2 0 "[ . 1]" 1
298 1 68 CYS QB 1 69 MET H . . 3.780 2.419 2.046 2.740 . 0 0 "[ . 1]" 1
299 1 69 MET H 1 70 LYS H . . 2.760 2.788 2.600 2.906 0.146 9 0 "[ . 1]" 1
300 1 69 MET H 1 71 TYR H . . 4.260 4.219 3.987 4.448 0.188 7 0 "[ . 1]" 1
301 1 69 MET HA 1 70 LYS H . . 3.610 3.476 3.441 3.494 . 0 0 "[ . 1]" 1
302 1 69 MET HA 1 72 LEU H . . 4.570 3.513 3.054 3.769 . 0 0 "[ . 1]" 1
303 1 69 MET HA 1 72 LEU HB2 . . 4.540 4.093 2.519 5.038 0.498 2 0 "[ . 1]" 1
304 1 69 MET HA 1 72 LEU QB . . 4.340 3.414 2.044 4.449 0.109 2 0 "[ . 1]" 1
305 1 69 MET HA 1 72 LEU HB3 . . 4.540 3.692 2.100 4.952 0.412 2 0 "[ . 1]" 1
306 1 69 MET HA 1 72 LEU QD . . 3.140 2.457 2.121 2.948 . 0 0 "[ . 1]" 1
307 1 69 MET QB 1 70 LYS H . . 4.350 2.451 2.353 2.578 . 0 0 "[ . 1]" 1
308 1 70 LYS H 1 71 TYR H . . 2.750 2.816 2.728 2.948 0.198 7 0 "[ . 1]" 1
309 1 70 LYS HA 1 71 TYR H . . 3.670 3.474 3.423 3.494 . 0 0 "[ . 1]" 1
310 1 70 LYS HA 1 73 LEU HB2 . . 4.450 3.642 2.914 4.772 0.322 10 0 "[ . 1]" 1
311 1 70 LYS HA 1 73 LEU QB . . 4.150 3.021 2.400 3.808 . 0 0 "[ . 1]" 1
312 1 70 LYS HA 1 73 LEU HB3 . . 4.450 3.348 2.464 4.369 . 0 0 "[ . 1]" 1
313 1 70 LYS HA 1 74 LYS H . . 4.340 3.901 3.567 4.115 . 0 0 "[ . 1]" 1
314 1 70 LYS QB 1 71 TYR H . . 4.230 2.589 2.378 3.105 . 0 0 "[ . 1]" 1
315 1 70 LYS QG 1 71 TYR H . . 4.920 3.989 3.483 4.318 . 0 0 "[ . 1]" 1
316 1 71 TYR HA 1 72 LEU H . . 3.650 3.474 3.417 3.524 . 0 0 "[ . 1]" 1
317 1 71 TYR HA 1 73 LEU H . . 4.570 4.200 3.609 4.747 0.177 5 0 "[ . 1]" 1
318 1 71 TYR HA 1 74 LYS H . . 3.850 3.568 3.377 3.845 . 0 0 "[ . 1]" 1
319 1 71 TYR HA 1 74 LYS QB . . 3.250 2.772 2.240 3.375 0.125 2 0 "[ . 1]" 1
320 1 71 TYR HA 1 75 GLU H . . 4.230 3.800 3.393 4.432 0.202 4 0 "[ . 1]" 1
321 1 71 TYR HA 1 94 PHE QE . . 4.350 4.409 3.909 4.833 0.483 8 0 "[ . 1]" 1
322 1 71 TYR QB 1 72 LEU H . . 4.410 2.511 2.396 2.626 . 0 0 "[ . 1]" 1
323 1 71 TYR QB 1 94 PHE QE . . 4.120 3.207 2.317 4.045 . 0 0 "[ . 1]" 1
324 1 71 TYR HB2 1 72 LEU H . . 4.710 3.065 2.607 3.682 . 0 0 "[ . 1]" 1
325 1 71 TYR HB3 1 72 LEU H . . 4.710 2.876 2.438 3.565 . 0 0 "[ . 1]" 1
326 1 72 LEU H 1 73 LEU H . . 2.740 2.857 2.757 3.040 0.300 5 0 "[ . 1]" 1
327 1 72 LEU H 1 74 LYS H . . 4.150 4.458 4.081 4.698 0.548 2 1 "[ + . 1]" 1
328 1 72 LEU H 1 75 GLU H . . 4.910 4.975 4.849 5.294 0.384 2 0 "[ . 1]" 1
329 1 72 LEU H 1 94 PHE QD . . 5.680 5.438 5.021 5.873 0.193 10 0 "[ . 1]" 1
330 1 72 LEU H 1 94 PHE QE . . 4.720 3.847 3.409 4.132 . 0 0 "[ . 1]" 1
331 1 72 LEU HA 1 73 LEU H . . 3.640 3.363 3.041 3.486 . 0 0 "[ . 1]" 1
332 1 72 LEU HA 1 75 GLU QB . . 4.500 3.690 3.276 4.250 . 0 0 "[ . 1]" 1
333 1 72 LEU HA 1 76 LEU H . . 4.670 5.095 4.422 5.642 0.972 5 4 "[ * -+ *]" 1
334 1 72 LEU HA 1 94 PHE QD . . 4.750 3.604 3.242 3.995 . 0 0 "[ . 1]" 1
335 1 72 LEU HA 1 94 PHE QE . . 4.100 2.874 2.408 3.255 . 0 0 "[ . 1]" 1
336 1 72 LEU QB 1 73 LEU H . . 4.780 3.212 2.078 3.940 . 0 0 "[ . 1]" 1
337 1 72 LEU HB2 1 73 LEU H . . 4.980 3.938 3.440 4.361 . 0 0 "[ . 1]" 1
338 1 72 LEU HB3 1 73 LEU H . . 4.980 3.577 2.096 4.493 . 0 0 "[ . 1]" 1
339 1 73 LEU H 1 74 LYS H . . 2.750 2.558 2.162 2.833 0.083 9 0 "[ . 1]" 1
340 1 73 LEU H 1 75 GLU H . . 4.350 4.035 3.331 4.429 0.079 9 0 "[ . 1]" 1
341 1 73 LEU H 1 76 LEU H . . 4.560 5.112 4.807 5.432 0.872 5 6 "[ **+ -* *]" 1
342 1 73 LEU HA 1 74 LYS H . . 3.650 3.482 3.450 3.520 . 0 0 "[ . 1]" 1
343 1 73 LEU HA 1 76 LEU H . . 3.370 3.898 3.639 4.116 0.746 8 6 "[*-* .* +*1]" 1
344 1 73 LEU HA 1 76 LEU QB . . 3.180 2.875 2.101 3.712 0.532 8 1 "[ . + 1]" 1
345 1 73 LEU HA 1 80 GLY H . . 4.720 5.703 3.430 6.343 1.623 6 9 "[*-***+* **]" 1
346 1 73 LEU QB 1 74 LYS H . . 3.390 2.345 2.127 2.636 . 0 0 "[ . 1]" 1
347 1 73 LEU HB2 1 74 LYS H . . 3.690 3.426 2.231 3.750 0.060 10 0 "[ . 1]" 1
348 1 73 LEU HB3 1 74 LYS H . . 3.690 2.479 2.152 3.198 . 0 0 "[ . 1]" 1
349 1 73 LEU QD 1 74 LYS H . . 4.940 3.474 3.113 3.811 . 0 0 "[ . 1]" 1
350 1 74 LYS H 1 75 GLU H . . 2.790 2.859 2.803 2.994 0.204 9 0 "[ . 1]" 1
351 1 74 LYS HA 1 75 GLU H . . 3.660 3.458 3.433 3.474 . 0 0 "[ . 1]" 1
352 1 74 LYS QB 1 75 GLU H . . 3.070 2.714 2.585 2.967 . 0 0 "[ . 1]" 1
353 1 74 LYS QG 1 75 GLU H . . 4.840 4.103 3.769 4.396 . 0 0 "[ . 1]" 1
354 1 75 GLU HA 1 76 LEU H . . 3.650 3.173 2.865 3.407 . 0 0 "[ . 1]" 1
355 1 75 GLU QB 1 76 LEU H . . 3.320 3.451 3.056 3.804 0.484 5 0 "[ . 1]" 1
356 1 75 GLU QB 1 93 LYS H . . 4.950 4.020 3.219 4.778 . 0 0 "[ . 1]" 1
357 1 75 GLU QB 1 94 PHE QD . . 4.240 2.588 2.092 3.434 . 0 0 "[ . 1]" 1
358 1 75 GLU QB 1 94 PHE QE . . 3.800 2.362 1.895 2.958 . 0 0 "[ . 1]" 1
359 1 75 GLU QG 1 76 LEU H . . 4.800 4.529 4.246 4.779 . 0 0 "[ . 1]" 1
360 1 76 LEU H 1 94 PHE H . . 4.630 6.777 5.870 7.544 2.914 4 10 [***+***-**] 1
361 1 76 LEU HA 1 77 ALA H . . 2.570 2.171 2.062 2.286 . 0 0 "[ . 1]" 1
362 1 76 LEU HA 1 92 GLY H . . 4.580 5.228 4.758 5.655 1.075 1 6 "[+ *-. * **]" 1
363 1 76 LEU HA 1 94 PHE H . . 4.490 4.947 4.101 5.645 1.155 4 6 "[***+.- *]" 1
364 1 76 LEU QB 1 77 ALA H . . 4.030 3.680 2.770 3.837 . 0 0 "[ . 1]" 1
365 1 76 LEU QD 1 80 GLY H . . 4.610 2.670 1.955 4.487 . 0 0 "[ . 1]" 1
366 1 76 LEU QD 1 91 GLN H . . 3.540 3.150 2.458 3.597 0.057 5 0 "[ . 1]" 1
367 1 76 LEU QD 1 92 GLY H . . 5.550 3.803 3.133 4.452 . 0 0 "[ . 1]" 1
368 1 76 LEU QD 1 94 PHE QD . . 4.150 2.750 2.484 3.038 . 0 0 "[ . 1]" 1
369 1 76 LEU QD 1 94 PHE QE . . 4.640 3.581 3.093 3.808 . 0 0 "[ . 1]" 1
370 1 77 ALA HA 1 78 ALA H . . 3.650 3.347 3.037 3.438 . 0 0 "[ . 1]" 1
371 1 77 ALA HA 1 78 ALA HA . . 4.580 4.554 4.524 4.580 . 0 0 "[ . 1]" 1
372 1 77 ALA MB 1 78 ALA H . . 3.350 2.866 2.538 3.380 0.030 1 0 "[ . 1]" 1
373 1 78 ALA H 1 92 GLY H . . 4.920 5.306 4.716 6.283 1.363 1 3 "[+-* . 1]" 1
374 1 80 GLY H 1 91 GLN H . . 4.950 4.086 3.285 5.727 0.777 7 1 "[ . + 1]" 1
375 1 80 GLY QA 1 81 ASN H . . 2.930 2.223 2.060 2.600 . 0 0 "[ . 1]" 1
376 1 80 GLY QA 1 91 GLN H . . 3.620 2.220 1.495 5.283 1.663 8 1 "[ . + 1]" 1
377 1 81 ASN HA 1 82 VAL H . . 2.610 2.183 2.054 2.237 . 0 0 "[ . 1]" 1
378 1 81 ASN QB 1 82 VAL H . . 3.220 2.806 2.582 3.600 0.380 7 0 "[ . 1]" 1
379 1 82 VAL HA 1 83 ASP H . . 2.540 2.170 2.024 2.432 . 0 0 "[ . 1]" 1
380 1 82 VAL HA 1 88 LEU HA . . 4.170 3.828 2.751 4.897 0.727 1 1 "[+ . 1]" 1
381 1 82 VAL HA 1 88 LEU QD . . 4.950 2.879 2.141 3.925 . 0 0 "[ . 1]" 1
382 1 82 VAL HA 1 89 VAL H . . 3.690 3.560 1.976 4.863 1.173 1 4 "[+ -.* *]" 1
383 1 82 VAL HA 1 90 ILE H . . 4.810 5.708 5.021 6.571 1.761 2 7 "[ +**** *-1]" 1
384 1 82 VAL MG1 1 83 ASP H . . 4.820 3.843 3.220 4.339 . 0 0 "[ . 1]" 1
385 1 82 VAL MG2 1 83 ASP H . . 3.360 3.142 1.875 4.003 0.643 10 1 "[ . +]" 1
386 1 83 ASP HA 1 84 ASP H . . 2.600 2.235 1.988 2.975 0.375 5 0 "[ . 1]" 1
387 1 83 ASP HA 1 86 GLY H . . 4.160 4.736 3.640 6.037 1.877 4 4 "[* +.* -1]" 1
388 1 84 ASP HA 1 85 LYS H . . 3.620 2.784 2.027 3.413 . 0 0 "[ . 1]" 1
389 1 84 ASP HA 1 87 GLU H . . 4.840 5.184 3.988 6.166 1.326 1 3 "[+*- . 1]" 1
390 1 84 ASP QB 1 85 LYS H . . 4.330 3.151 1.928 3.971 . 0 0 "[ . 1]" 1
391 1 84 ASP HB2 1 85 LYS H . . 4.530 3.756 1.938 4.521 . 0 0 "[ . 1]" 1
392 1 84 ASP HB3 1 85 LYS H . . 4.530 3.588 2.115 4.398 . 0 0 "[ . 1]" 1
393 1 85 LYS HA 1 86 GLY H . . 3.600 2.897 2.204 3.485 . 0 0 "[ . 1]" 1
394 1 85 LYS QB 1 86 GLY H . . 4.070 3.198 2.302 3.962 . 0 0 "[ . 1]" 1
395 1 86 GLY QA 1 87 GLU H . . 3.330 2.472 2.069 2.751 . 0 0 "[ . 1]" 1
396 1 87 GLU HA 1 88 LEU H . . 2.560 2.289 2.120 2.779 0.219 4 0 "[ . 1]" 1
397 1 87 GLU QB 1 88 LEU H . . 2.720 2.560 1.768 2.902 0.182 10 0 "[ . 1]" 1
398 1 87 GLU QG 1 88 LEU H . . 4.640 3.823 3.272 4.477 . 0 0 "[ . 1]" 1
399 1 88 LEU HA 1 89 VAL H . . 2.670 2.177 2.015 2.370 . 0 0 "[ . 1]" 1
400 1 88 LEU QB 1 89 VAL H . . 4.160 3.598 2.755 3.967 . 0 0 "[ . 1]" 1
401 1 89 VAL HA 1 90 ILE H . . 2.640 2.153 2.018 2.381 . 0 0 "[ . 1]" 1
402 1 89 VAL QG 1 90 ILE H . . 4.780 3.162 2.379 3.651 . 0 0 "[ . 1]" 1
403 1 90 ILE HA 1 91 GLN H . . 2.620 2.204 2.010 2.399 . 0 0 "[ . 1]" 1
404 1 90 ILE MG 1 94 PHE QD . . 4.970 3.000 2.271 3.891 . 0 0 "[ . 1]" 1
405 1 91 GLN H 1 92 GLY H . . 4.410 4.241 3.862 4.489 0.079 9 0 "[ . 1]" 1
406 1 91 GLN HA 1 92 GLY H . . 2.600 2.115 2.048 2.262 . 0 0 "[ . 1]" 1
407 1 91 GLN QB 1 92 GLY H . . 4.590 3.749 3.473 3.928 . 0 0 "[ . 1]" 1
408 1 91 GLN QG 1 92 GLY H . . 4.100 3.221 2.375 4.418 0.318 2 0 "[ . 1]" 1
409 1 92 GLY QA 1 93 LYS H . . 2.610 2.158 2.085 2.246 . 0 0 "[ . 1]" 1
410 1 92 GLY QA 1 94 PHE H . . 4.690 3.553 3.189 3.838 . 0 0 "[ . 1]" 1
411 1 93 LYS HA 1 94 PHE H . . 3.340 2.862 2.559 3.415 0.075 8 0 "[ . 1]" 1
412 1 93 LYS QB 1 94 PHE H . . 4.830 3.661 2.968 3.888 . 0 0 "[ . 1]" 1
413 1 94 PHE HA 1 95 SER H . . 3.070 2.758 2.013 3.350 0.280 5 0 "[ . 1]" 1
414 1 94 PHE HA 1 97 GLN H . . 4.490 4.388 3.258 5.462 0.972 2 2 "[-+ . 1]" 1
415 1 94 PHE HA 1 99 ILE H . . 4.630 4.643 4.152 5.620 0.990 6 1 "[ .+ 1]" 1
416 1 94 PHE QB 1 95 SER H . . 4.190 3.527 2.899 3.829 . 0 0 "[ . 1]" 1
417 1 94 PHE HB2 1 95 SER H . . 4.390 4.038 3.221 4.496 0.106 7 0 "[ . 1]" 1
418 1 94 PHE HB3 1 95 SER H . . 4.390 3.930 3.165 4.277 . 0 0 "[ . 1]" 1
419 1 94 PHE QD 1 98 VAL QG . . 4.790 2.819 2.583 3.142 . 0 0 "[ . 1]" 1
420 1 94 PHE QD 1 99 ILE MD . . 4.250 2.467 1.854 3.062 . 0 0 "[ . 1]" 1
421 1 94 PHE QD 1 99 ILE MG . . 4.240 4.954 3.974 5.858 1.618 6 6 "[* **.+ - *]" 1
422 1 94 PHE QE 1 98 VAL QG . . 3.780 2.387 1.979 2.722 . 0 0 "[ . 1]" 1
423 1 94 PHE QE 1 99 ILE MG . . 4.120 4.354 3.107 5.016 0.896 10 4 "[ *-. * +]" 1
424 1 95 SER HA 1 96 SER H . . 2.630 2.161 1.994 2.536 . 0 0 "[ . 1]" 1
425 1 95 SER QB 1 96 SER H . . 4.430 3.516 2.347 3.959 . 0 0 "[ . 1]" 1
426 1 96 SER H 1 97 GLN H . . 3.380 3.159 2.736 3.571 0.191 2 0 "[ . 1]" 1
427 1 96 SER H 1 100 ASN H . . 4.850 5.331 4.077 5.979 1.129 9 6 "[ - *.* *+*]" 1
428 1 96 SER QB 1 97 GLN H . . 4.590 3.294 2.489 3.899 . 0 0 "[ . 1]" 1
429 1 97 GLN HA 1 98 VAL H . . 3.550 3.131 2.349 3.497 . 0 0 "[ . 1]" 1
430 1 97 GLN HA 1 100 ASN QB . . 4.590 3.964 2.938 5.459 0.869 5 2 "[ - + 1]" 1
431 1 97 GLN HA 1 101 THR H . . 4.370 4.164 2.978 5.210 0.840 5 2 "[ - + 1]" 1
432 1 97 GLN QB 1 98 VAL H . . 3.460 2.342 1.755 3.097 . 0 0 "[ . 1]" 1
433 1 98 VAL HA 1 99 ILE H . . 3.680 3.468 3.374 3.536 . 0 0 "[ . 1]" 1
434 1 98 VAL HA 1 100 ASN H . . 4.960 4.952 4.464 5.592 0.632 7 1 "[ . + 1]" 1
435 1 98 VAL QG 1 99 ILE H . . 4.830 2.273 1.611 3.212 . 0 0 "[ . 1]" 1
436 1 99 ILE HA 1 100 ASN H . . 3.640 3.458 3.400 3.483 . 0 0 "[ . 1]" 1
437 1 99 ILE HA 1 102 LEU H . . 4.440 3.861 3.526 4.279 . 0 0 "[ . 1]" 1
438 1 99 ILE MG 1 100 ASN H . . 4.350 3.496 3.281 3.721 . 0 0 "[ . 1]" 1
439 1 100 ASN HA 1 101 THR H . . 3.680 3.440 3.406 3.472 . 0 0 "[ . 1]" 1
440 1 100 ASN QB 1 101 THR H . . 3.350 2.639 2.355 2.912 . 0 0 "[ . 1]" 1
441 1 101 THR HA 1 102 LEU H . . 3.650 3.499 3.470 3.539 . 0 0 "[ . 1]" 1
442 1 101 THR HA 1 104 GLU H . . 4.500 3.784 3.298 4.217 . 0 0 "[ . 1]" 1
443 1 101 THR MG 1 102 LEU H . . 3.860 3.487 3.176 3.673 . 0 0 "[ . 1]" 1
444 1 102 LEU H 1 103 MET H . . 2.750 2.704 2.426 2.820 0.070 1 0 "[ . 1]" 1
445 1 102 LEU HA 1 103 MET H . . 3.600 3.482 3.442 3.536 . 0 0 "[ . 1]" 1
446 1 102 LEU HA 1 106 PHE H . . 4.590 4.237 3.735 5.395 0.805 5 1 "[ + 1]" 1
447 1 102 LEU QB 1 103 MET H . . 3.400 2.598 2.395 2.742 . 0 0 "[ . 1]" 1
448 1 102 LEU QD 1 130 TRP HE1 . . 4.680 3.317 2.024 4.444 . 0 0 "[ . 1]" 1
449 1 103 MET HA 1 104 GLU H . . 3.600 3.471 3.442 3.488 . 0 0 "[ . 1]" 1
450 1 103 MET HA 1 107 LEU H . . 4.780 3.662 2.392 4.279 . 0 0 "[ . 1]" 1
451 1 103 MET HB2 1 104 GLU H . . 4.140 3.911 3.750 4.138 . 0 0 "[ . 1]" 1
452 1 103 MET HB3 1 104 GLU H . . 4.530 2.801 2.431 4.093 . 0 0 "[ . 1]" 1
453 1 104 GLU HA 1 105 ARG H . . 3.680 3.147 2.190 3.550 . 0 0 "[ . 1]" 1
454 1 104 GLU HA 1 106 PHE H . . 4.790 4.313 3.669 4.687 . 0 0 "[ . 1]" 1
455 1 104 GLU HA 1 107 LEU H . . 4.430 4.142 3.521 5.137 0.707 2 1 "[ + . 1]" 1
456 1 104 GLU QB 1 105 ARG H . . 3.150 2.603 2.257 3.496 0.346 7 0 "[ . 1]" 1
457 1 104 GLU HB2 1 105 ARG H . . 3.350 3.160 2.408 3.853 0.503 5 1 "[ + 1]" 1
458 1 104 GLU HB3 1 105 ARG H . . 3.350 3.143 2.280 4.042 0.692 7 2 "[ . + -1]" 1
459 1 105 ARG HA 1 106 PHE H . . 3.680 3.455 3.410 3.514 . 0 0 "[ . 1]" 1
460 1 105 ARG HA 1 108 LYS QB . . 4.720 3.621 2.135 4.895 0.175 2 0 "[ . 1]" 1
461 1 105 ARG HA 1 109 ALA H . . 4.480 4.226 3.344 5.030 0.550 8 1 "[ . + 1]" 1
462 1 105 ARG QB 1 106 PHE H . . 4.920 3.163 2.490 3.607 . 0 0 "[ . 1]" 1
463 1 105 ARG QG 1 106 PHE H . . 3.670 3.126 2.323 4.322 0.652 3 1 "[ + . 1]" 1
464 1 106 PHE H 1 107 LEU H . . 3.280 3.087 2.855 3.441 0.161 2 0 "[ . 1]" 1
465 1 106 PHE H 1 108 LYS H . . 4.420 4.214 3.861 4.722 0.302 7 0 "[ . 1]" 1
466 1 106 PHE H 1 109 ALA H . . 4.530 4.959 4.536 5.369 0.839 6 4 "[- *.+ * 1]" 1
467 1 106 PHE HA 1 107 LEU H . . 3.690 3.480 3.435 3.520 . 0 0 "[ . 1]" 1
468 1 106 PHE HA 1 109 ALA H . . 4.390 4.177 3.657 4.645 0.255 7 0 "[ . 1]" 1
469 1 106 PHE HA 1 109 ALA MB . . 4.290 3.632 3.013 4.636 0.346 10 0 "[ . 1]" 1
470 1 106 PHE QB 1 107 LEU H . . 3.360 2.260 2.124 2.481 . 0 0 "[ . 1]" 1
471 1 106 PHE HB2 1 107 LEU H . . 3.560 3.643 3.467 3.810 0.250 5 0 "[ . 1]" 1
472 1 106 PHE HB3 1 107 LEU H . . 3.560 2.282 2.140 2.514 . 0 0 "[ . 1]" 1
473 1 106 PHE QD 1 107 LEU H . . 3.420 3.120 2.393 3.692 0.272 10 0 "[ . 1]" 1
474 1 106 PHE QE 1 107 LEU HA . . 4.470 4.578 3.783 5.093 0.623 3 3 "[ + . * -]" 1
475 1 107 LEU H 1 108 LYS H . . 2.790 2.827 2.754 2.916 0.126 7 0 "[ . 1]" 1
476 1 107 LEU HA 1 108 LYS H . . 3.550 3.449 3.403 3.488 . 0 0 "[ . 1]" 1
477 1 107 LEU HA 1 109 ALA H . . 4.770 4.251 3.719 5.077 0.307 9 0 "[ . 1]" 1
478 1 107 LEU QB 1 108 LYS H . . 4.380 2.596 2.299 3.070 . 0 0 "[ . 1]" 1
479 1 108 LYS H 1 109 ALA H . . 2.740 2.742 2.115 2.943 0.203 1 0 "[ . 1]" 1
480 1 108 LYS HA 1 109 ALA H . . 3.650 3.180 2.753 3.460 . 0 0 "[ . 1]" 1
481 1 108 LYS HA 1 111 VAL QG . . 4.590 3.331 2.831 3.975 . 0 0 "[ . 1]" 1
482 1 108 LYS HA 1 112 GLU H . . 4.690 4.558 4.202 5.011 0.321 9 0 "[ . 1]" 1
483 1 108 LYS QB 1 109 ALA H . . 5.060 3.235 2.205 3.838 . 0 0 "[ . 1]" 1
484 1 109 ALA H 1 110 TYR H . . 2.850 3.209 2.835 4.040 1.190 9 3 "[ - +*]" 1
485 1 109 ALA HA 1 110 TYR H . . 3.690 3.436 3.384 3.484 . 0 0 "[ . 1]" 1
486 1 109 ALA HA 1 112 GLU QB . . 4.810 3.035 1.842 4.787 . 0 0 "[ . 1]" 1
487 1 109 ALA MB 1 110 TYR H . . 4.500 2.451 2.057 2.694 . 0 0 "[ . 1]" 1
488 1 110 TYR H 1 111 VAL H . . 2.920 3.046 2.742 3.396 0.476 9 0 "[ . 1]" 1
489 1 110 TYR H 1 112 GLU H . . 4.490 4.307 3.985 4.731 0.241 5 0 "[ . 1]" 1
490 1 110 TYR H 1 113 CYS H . . 4.710 4.918 4.765 5.210 0.500 10 0 "[ . 1]" 1
491 1 110 TYR HA 1 111 VAL H . . 3.700 3.461 3.373 3.502 . 0 0 "[ . 1]" 1
492 1 110 TYR HA 1 113 CYS H . . 4.790 4.418 4.130 4.876 0.086 8 0 "[ . 1]" 1
493 1 110 TYR HA 1 113 CYS QB . . 4.520 4.437 3.668 5.350 0.830 8 2 "[ . -+ 1]" 1
494 1 110 TYR QB 1 111 VAL H . . 2.850 2.427 2.064 2.935 0.085 1 0 "[ . 1]" 1
495 1 110 TYR QD 1 115 THR H . . 4.990 4.233 3.499 4.754 . 0 0 "[ . 1]" 1
496 1 111 VAL H 1 112 GLU H . . 2.870 2.533 2.103 3.081 0.211 5 0 "[ . 1]" 1
497 1 111 VAL H 1 114 SER H . . 4.810 5.105 4.111 5.717 0.907 1 3 "[+ . -*]" 1
498 1 111 VAL HA 1 112 GLU H . . 3.660 3.461 3.410 3.546 . 0 0 "[ . 1]" 1
499 1 111 VAL HA 1 113 CYS H . . 4.570 4.258 3.999 4.411 . 0 0 "[ . 1]" 1
500 1 111 VAL HA 1 114 SER H . . 4.580 3.540 3.059 3.933 . 0 0 "[ . 1]" 1
501 1 111 VAL QG 1 112 GLU H . . 3.290 2.355 2.059 2.481 . 0 0 "[ . 1]" 1
502 1 112 GLU H 1 113 CYS H . . 3.190 2.781 2.706 2.930 . 0 0 "[ . 1]" 1
503 1 112 GLU H 1 114 SER H . . 4.720 4.160 3.869 5.067 0.347 1 0 "[ . 1]" 1
504 1 112 GLU HA 1 113 CYS H . . 3.640 3.448 3.402 3.484 . 0 0 "[ . 1]" 1
505 1 112 GLU QB 1 113 CYS H . . 3.070 2.711 2.227 3.149 0.079 9 0 "[ . 1]" 1
506 1 112 GLU QG 1 113 CYS H . . 4.770 4.111 3.492 4.560 . 0 0 "[ . 1]" 1
507 1 113 CYS H 1 114 SER H . . 2.620 2.708 2.065 3.769 1.149 1 1 "[+ . 1]" 1
508 1 113 CYS H 1 115 THR H . . 4.880 4.178 3.659 5.230 0.350 1 0 "[ . 1]" 1
509 1 113 CYS HA 1 114 SER H . . 3.590 2.903 2.149 3.364 . 0 0 "[ . 1]" 1
510 1 113 CYS HA 1 116 CYS H . . 4.580 4.846 4.317 5.673 1.093 6 2 "[- .+ 1]" 1
511 1 113 CYS QB 1 114 SER H . . 4.720 3.625 3.024 3.978 . 0 0 "[ . 1]" 1
512 1 114 SER H 1 115 THR H . . 3.250 3.387 2.784 4.212 0.962 1 3 "[+ . * -]" 1
513 1 114 SER HA 1 115 THR H . . 2.560 2.362 2.033 2.674 0.114 4 0 "[ . 1]" 1
514 1 114 SER QB 1 115 THR H . . 4.510 3.820 3.557 3.968 . 0 0 "[ . 1]" 1
515 1 115 THR HA 1 116 CYS H . . 2.610 2.584 2.246 3.495 0.885 6 1 "[ .+ 1]" 1
516 1 116 CYS H 1 117 LYS H . . 3.720 3.275 2.816 4.337 0.617 6 1 "[ .+ 1]" 1
517 1 116 CYS HA 1 117 LYS H . . 2.680 2.645 2.119 3.422 0.742 4 3 "[ * +. - 1]" 1
518 1 116 CYS HA 1 119 LEU H . . 4.670 5.216 3.857 8.151 3.481 4 4 "[ +** - 1]" 1
519 1 116 CYS QB 1 117 LYS H . . 4.600 3.727 3.262 3.992 . 0 0 "[ . 1]" 1
520 1 117 LYS HA 1 118 SER H . . 3.940 3.376 2.655 3.495 . 0 0 "[ . 1]" 1
521 1 117 LYS QB 1 118 SER H . . 3.120 2.096 1.810 2.636 . 0 0 "[ . 1]" 1
522 1 118 SER HA 1 119 LEU H . . 2.580 2.525 2.086 3.326 0.746 1 1 "[+ . 1]" 1
523 1 119 LEU HA 1 120 ASP H . . 3.580 2.550 2.142 3.485 . 0 0 "[ . 1]" 1
524 1 119 LEU QB 1 136 ALA MB . . 4.520 3.548 2.098 5.876 1.356 1 1 "[+ . 1]" 1
525 1 119 LEU QD 1 120 ASP H . . 4.390 3.367 2.478 4.386 . 0 0 "[ . 1]" 1
526 1 119 LEU QD 1 137 CYS HA . . 4.710 3.907 3.056 5.644 0.934 9 1 "[ . +1]" 1
527 1 120 ASP HA 1 121 THR H . . 2.560 2.514 2.030 3.445 0.885 9 2 "[ - +1]" 1
528 1 120 ASP QB 1 121 THR H . . 4.330 3.552 2.670 3.895 . 0 0 "[ . 1]" 1
529 1 121 THR HA 1 136 ALA MB . . 4.710 3.581 1.788 4.836 0.126 6 0 "[ . 1]" 1
530 1 121 THR MG 1 136 ALA H . . 4.440 4.381 2.723 5.325 0.885 1 3 "[+ - * 1]" 1
531 1 124 LYS HA 1 125 LYS H . . 2.650 2.487 2.084 2.959 0.309 3 0 "[ . 1]" 1
532 1 124 LYS QB 1 125 LYS H . . 4.270 2.833 2.204 3.561 . 0 0 "[ . 1]" 1
533 1 124 LYS QD 1 125 LYS H . . 3.770 3.287 1.714 4.391 0.621 10 2 "[ - . +]" 1
534 1 124 LYS QG 1 125 LYS H . . 3.790 2.149 1.562 3.567 . 0 0 "[ . 1]" 1
535 1 125 LYS HA 1 126 GLU H . . 2.590 2.253 2.021 3.339 0.749 8 1 "[ . + 1]" 1
536 1 125 LYS HA 1 131 TYR H . . 4.580 4.669 2.657 5.600 1.020 8 3 "[- * + 1]" 1
537 1 125 LYS HA 1 131 TYR HA . . 4.640 5.141 4.555 5.868 1.228 8 4 "[ * *- + 1]" 1
538 1 125 LYS QB 1 126 GLU H . . 3.630 2.832 1.943 3.864 0.234 1 0 "[ . 1]" 1
539 1 125 LYS QB 1 131 TYR H . . 4.860 4.483 2.288 6.553 1.693 5 2 "[ -+ 1]" 1
540 1 126 GLU H 1 131 TYR HA . . 4.910 4.642 3.283 5.780 0.870 4 1 "[ +. 1]" 1
541 1 126 GLU HA 1 127 LYS H . . 2.650 2.233 2.085 2.721 0.071 1 0 "[ . 1]" 1
542 1 126 GLU HA 1 130 TRP H . . 4.910 4.968 4.296 6.097 1.187 8 2 "[ - . + 1]" 1
543 1 126 GLU HA 1 131 TYR H . . 4.190 4.589 3.341 6.623 2.433 5 4 "[ * *+ - 1]" 1
544 1 126 GLU QG 1 127 LYS H . . 4.020 3.471 2.452 4.373 0.353 1 0 "[ . 1]" 1
545 1 126 GLU QG 1 131 TYR QD . . 4.520 3.971 2.569 5.132 0.612 4 1 "[ +. 1]" 1
546 1 126 GLU QG 1 143 VAL HA . . 4.920 4.251 2.351 5.994 1.074 2 1 "[ + . 1]" 1
547 1 126 GLU QG 1 143 VAL QG . . 3.890 3.015 2.131 4.451 0.561 8 1 "[ . + 1]" 1
548 1 127 LYS H 1 129 SER H . . 4.880 5.298 4.215 6.903 2.023 3 4 "[* +-. * 1]" 1
549 1 127 LYS H 1 130 TRP H . . 5.000 4.759 4.088 5.303 0.303 3 0 "[ . 1]" 1
550 1 127 LYS HA 1 130 TRP H . . 4.560 4.779 4.254 5.409 0.849 10 2 "[ - . +]" 1
551 1 127 LYS QD 1 143 VAL QG . . 4.970 3.554 2.496 4.646 . 0 0 "[ . 1]" 1
552 1 129 SER HA 1 130 TRP H . . 3.590 3.194 2.795 3.443 . 0 0 "[ . 1]" 1
553 1 129 SER QB 1 130 TRP H . . 4.210 3.108 1.764 3.802 . 0 0 "[ . 1]" 1
554 1 130 TRP HA 1 131 TYR H . . 3.680 2.838 1.969 3.443 . 0 0 "[ . 1]" 1
555 1 130 TRP QB 1 131 TYR QE . . 5.210 4.961 4.136 6.375 1.165 9 1 "[ . +1]" 1
556 1 131 TYR HA 1 141 THR H . . 4.840 5.166 4.057 6.052 1.212 8 5 "[*-* . +*1]" 1
557 1 131 TYR QB 1 143 VAL H . . 4.960 3.812 2.296 5.017 0.057 2 0 "[ . 1]" 1
558 1 131 TYR QD 1 143 VAL HA . . 4.430 2.947 1.901 4.010 . 0 0 "[ . 1]" 1
559 1 131 TYR QD 1 143 VAL QG . . 4.280 2.776 2.092 3.775 . 0 0 "[ . 1]" 1
560 1 131 TYR QE 1 143 VAL HA . . 4.920 3.344 2.262 4.944 0.024 3 0 "[ . 1]" 1
561 1 134 CYS H 1 136 ALA H . . 4.910 5.674 4.929 6.151 1.241 9 7 "[*-**.* +*]" 1
562 1 134 CYS H 1 139 ALA HA . . 4.770 4.895 3.886 6.168 1.398 8 3 "[ -. *+ 1]" 1
563 1 134 CYS HA 1 135 LEU H . . 3.170 2.805 2.090 3.449 0.279 3 0 "[ . 1]" 1
564 1 134 CYS HA 1 137 CYS H . . 4.440 4.450 3.626 5.324 0.884 8 2 "[ - . + 1]" 1
565 1 134 CYS HA 1 140 GLN H . . 4.840 4.985 3.194 6.334 1.494 6 5 "[ -*.+* *]" 1
566 1 134 CYS QB 1 135 LEU H . . 3.710 2.889 1.935 3.869 0.159 4 0 "[ . 1]" 1
567 1 134 CYS HB2 1 135 LEU H . . 3.910 3.305 1.947 4.501 0.591 4 1 "[ +. 1]" 1
568 1 134 CYS HB3 1 135 LEU H . . 3.910 3.498 2.075 4.217 0.307 4 0 "[ . 1]" 1
569 1 135 LEU HA 1 136 ALA H . . 3.700 3.164 2.154 3.503 . 0 0 "[ . 1]" 1
570 1 136 ALA HA 1 137 CYS H . . 3.620 3.411 2.861 3.516 . 0 0 "[ . 1]" 1
571 1 136 ALA MB 1 137 CYS H . . 4.220 2.602 2.230 3.657 . 0 0 "[ . 1]" 1
572 1 137 CYS HA 1 138 GLY H . . 2.560 2.212 2.120 2.401 . 0 0 "[ . 1]" 1
573 1 138 GLY QA 1 139 ALA H . . 3.780 2.258 2.078 2.703 . 0 0 "[ . 1]" 1
574 1 139 ALA HA 1 140 GLN H . . 2.600 2.343 2.070 3.419 0.819 7 1 "[ . + 1]" 1
575 1 139 ALA MB 1 140 GLN H . . 4.610 3.069 2.047 3.648 . 0 0 "[ . 1]" 1
576 1 140 GLN HA 1 141 THR H . . 2.650 2.265 2.055 2.641 . 0 0 "[ . 1]" 1
577 1 140 GLN QB 1 141 THR H . . 3.740 2.908 1.950 3.812 0.072 4 0 "[ . 1]" 1
578 1 141 THR HA 1 143 VAL H . . 4.630 4.697 3.900 5.642 1.012 5 2 "[ +- 1]" 1
579 1 141 THR MG 1 143 VAL H . . 3.530 3.698 2.806 5.307 1.777 5 2 "[ +- 1]" 1
580 1 143 VAL H 1 144 LYS H . . 3.580 3.530 2.641 4.206 0.626 10 3 "[ -. *+]" 1
581 1 143 VAL HA 1 144 LYS H . . 3.610 3.381 2.833 3.507 . 0 0 "[ . 1]" 1
582 1 143 VAL QG 1 144 LYS H . . 3.410 2.147 1.579 3.613 0.203 6 0 "[ . 1]" 1
stop_
save_